Vitas-M small molecule compound
(2E)-3-(4-methoxyphenyl)-N-({2-[(3-methyl-1H-pyrazol-5-yl)carbonyl]hydrazinyl}carbonothioyl)prop-2-enamide
Catalog ID
STK126352
SMILES COc1ccc(cc1)/C=C/C(=O)NC(=S)NNC(=O)c1[nH]nc(c1)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C16H17N5O3S MW 359.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N5O3S/c1-10-9-13(19-18-10)15(23)20-21-16(25)17-14(22)8-5-11-3-6-12(24-2)7-4-11/h3-9H,1-2H3,(H,18,19)(H,20,23)(H2,17,21,22,25)/b8-5+InChIKey
IJPLJIUVZOMQSY-VMPITWQZSA-NSynonyms
944789-53-1(2E)3(4METHOXYPHENYL)N((2((3METHYL1HPYRAZOL5YL)CARBONYL)HYDRAZINYL)CARBONOTHIOYL)PROP2ENAMIDE
(E)3(4METHOXYPHENYL)N(((5METHYL1HPYRAZOLE3CARBONYL)AMINO)CARBAMOTHIOYL)PROP2ENAMIDE
944789531
CC1=CC(=NN1)C(=O)NNC(=S)NC(=O)C=CC2=CC=C(C=C2)OC
COc1ccc(cc1)C=CC(=O)NC(=S)NNC(=O)c1(nH)nc(c1)C
InChI=1SC16H17N5O3Sc110913(191810)15(23)202116(25)1714(22)85113612(242)7411h39H12H3(H1819)(H2023)(H217212225)b85+
MFCD03596070
ZINC000004137285
ZINC04137285
ZINC4137285
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